Use of RunAccumulated and RUN_CELL

[Ivan M]

Hi all,

What is the difference in the behavior of RunAccumulated and RUN_CELL? It seems that RunAccumulated just passes the new statements from AccumulateLine to the Phreeqc instance, but does not run the model, being necessary to call after each RunAccumulated a RUN_CELL to properly run the KINETICS reactions and balance the species in SOLUTION blocks.

Is this the expected behavior? The manual quotes explictly that SAVE does not do anything to KINETIC blocks.

Thanks again

Cheers

_________________________________________

Ivan S.P. Marin, PhD

 

Postdoctoral Associate

Département de géologie et de génie géologique

Pavillon Adrien-Pouliot, local 3744

1065. ave de la Médecine

Université Laval

Québec (Québec) Canada

G1V 0A6

418-656-2131 poste 7246

 ivan.silvestre-...@ulaval.ca

[Parkhurst, David]

RunAccumulated is a method of IPhreeqc, whereas RUN_CELL is a PHREEQC statement.

Just guessing at what you are doing, you probably should have RUN_CELL definition for AccumulateLine, after which, RunAccumulated would perform the simulation.

--
You received this message because you are subscribed to the Google Groups ""phreeqpy-users" group.
To post to this group, send email to phreeqp...@googlegroups.com.
To unsubscribe from this group, send email to phreeqpy-user...@googlegroups.com.
For more options, visit this group at https://groups.google.com/d/forum/phreeqpy-users?hl=en.
 
More information about PhreeqPy can be found at http://www.phreeqpy.com.
---
You received this message because you are subscribed to the Google Groups "phreeqpy-users" group.
To unsubscribe from this group and stop receiving emails from it, send an email to phreeqpy-user...@googlegroups.com.
For more options, visit https://groups.google.com/groups/opt_out.
 
 

[Ivan M]

Dear David,

Thanks once again. I was calling RUN_CELL with RunString and didn't notice. Using AccumulateLine(RUN_CELL) and calling RunAccumulated behaves as expected. 

I did some tests with the -time_step option in RUN_CELL. My understanding is that if I give the value of zero to RUN_CELL the equilibrium part of a script (the contents of SOLUTION, for example) are equilibrated, but the KINETICS block is not executed (or integrated for time zero, what amounts to the same), while if I change the time_step to something else, both are run, with the KINETICS part run for the time especified in -time_step. Is that correct?

Cheers

_________________________________________

Ivan S.P. Marin, PhD

 

Postdoctoral Associate

Département de géologie et de génie géologique

Pavillon Adrien-Pouliot, local 3744

1065. ave de la Médecine

Université Laval

Québec (Québec) Canada

G1V 0A6

418-656-2131 poste 7246

 ivan.silvestre-...@ulaval.ca

2013/2/1 Parkhurst, David <dlp...@usgs.gov>

[Parkhurst, David]

> I did some tests with the -time_step option in RUN_CELL. My understanding is that if I give the value of zero to RUN_CELL the equilibrium part of a script (the contents of SOLUTION, for example) are equilibrated, but the KINETICS block is not executed (or integrated for time zero, what amounts to the same), while if I change the time_step to something else, both are run, with the KINETICS part run for the time especified in -time_step. Is that correct?

Sounds right.